(3S)-2-methylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-methylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-methylsulfonyl-N-[2-morpholino-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-methylsulfonyl-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-methylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-mesyl-N-[2-morpholino-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H24F3N3O4S MolecularWeight: 483.50387

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4

InChI

InChI=1S/C22H24F3N3O4S/c1-33(30,31)28-14-16-5-3-2-4-15(16)12-20(28)21(29)26-18-13-17(22(23,24)25)6-7-19(18)27-8-10-32-11-9-27/h2-7,13,20H,8-12,14H2,1H3,(H,26,29)/t20-/m0/s1